SCHEMBL2565461

SCHEMBL2565461

C(#CC1CC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
FFAR1 O14842 3/20 0.50
FFAR4 Q5NUL3 2/20 0.43
PTGES O14684 2/20 0.43
CYP1A2 P05177 3/20 0.41
GRM5 P41594 2/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
THPO P40225 1/20 0.39
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18626138 1.00 APP (0.52) APPFFAR1FFAR4PTGESCYP1A2
SCHEMBL11232546 0.91 FFAR1 (0.53) APPFFAR1FFAR4PTGESCYP1A2
SCHEMBL15266861 0.91 FFAR1 (0.49) APPFFAR1FFAR4PTGESCYP1A2
SCHEMBL22622902 0.89 GRM5 (0.44) APPFFAR1FFAR4PTGESCYP1A2
SCHEMBL11225320 0.89 CYP1A2 (0.55) APPFFAR1FFAR4PTGESCYP1A2
SCHEMBL8752132 0.89 CYP1A2 (0.55) APPFFAR1FFAR4PTGESCYP1A2
SCHEMBL20613702 0.88 FFAR1 (0.46) APPFFAR1FFAR4PTGESCYP1A2
SCHEMBL2298384 0.85 APP (0.42) APPFFAR1FFAR4PTGESCYP1A2
SCHEMBL1200030 0.85 SIGMAR1 (0.45) APPFFAR1FFAR4PTGESCYP1A2
SCHEMBL28789381 0.85 HAO1 (0.45) APPFFAR1FFAR4PTGESCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927093-B1 Method for synthesizing 2-benzylidene tetrahydrothiophene derivative SOOCHOW UNIVERSITY (CN) 2021-02-23 US claimed
US-20210040060-A1 METHOD FOR SYNTHESIZING 2-BENZYLIDENE TETRAHYDROTHIOPHENE DERIVATIVE SOOCHOW UNIVERSITY (CN) 2021-02-11 US claimed
US-10927093-B1 Method for synthesizing 2-benzylidene tetrahydrothiophene derivative SOOCHOW UNIVERSITY (CN) 2021-02-23 US disclosed
US-20210040060-A1 METHOD FOR SYNTHESIZING 2-BENZYLIDENE TETRAHYDROTHIOPHENE DERIVATIVE SOOCHOW UNIVERSITY (CN) 2021-02-11 US disclosed
WO-2019153373-A1 METHOD FOR SYNTHESIZING 2-BENZYLIDENE TETRAHYDROTHIOPHENE DERIVATIVE 苏州大学张家港工业技术研究院 2019-08-15 WO disclosed
CN-108892604-A A method of preparing halogenated benzo [b] Fluorenone series compound 江西师范大学 2018-11-27 CN disclosed
CN-107848976-A Alkynyl pyridines prolyl hydroxylase inhibitors, its preparation method and medical usage 江苏恒瑞医药股份有限公司 2018-03-27 CN disclosed
CN-105130888-A Pyridylacetylene prolyl hydroxylase inhibitor and preparation method and medical application thereof UNIV CHINA PHARMA 2015-12-09 CN disclosed
US-8354398-B2 Substituted isoxazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 US disclosed
EP-2382212-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2011-11-02 EP disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10927093-B1 Method for synthesizing 2-benzylidene tetrahydrothiophene derivative CBR3, TST, C5 APP 1025/4885FFAR1 4299/4885FFAR4 4130/4885
US-20210040060-A1 METHOD FOR SYNTHESIZING 2-BENZYLIDENE TETRAHYDROTHIOPHENE DERIVATIVE CBR3, TST, C5 APP 1025/4885FFAR1 4299/4885FFAR4 4130/4885
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS S1PR4, S1PR3, S1PR1 APP 3751/4885FFAR1 69/4885FFAR4 50/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.